data_1743 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of 1H-15N magnetic resonances and identification of secondary structure elements of the lambda-cro repressor ; _BMRB_accession_number 1743 _BMRB_flat_file_name bmr1743.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matsuo Hiroshi . . 2 Shirakawa Masahiro . . 3 Ohkubo Tadayasu . . 4 Yamazaki Toshio . . 5 Kyogoku Yoshimasa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 304 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Matsuo, Hiroshi, Shirakawa, Masahiro, Ohkubo, Tadayasu, Yamazaki, Toshio, Kyogoku, Yoshimasa, "Assignments of 1H-15N magnetic resonances and identification of secondary structure elements of the lambda-cro repressor," J. Biomol. NMR 1 (2), 191-204 (1991). ; _Citation_title ; Assignments of 1H-15N magnetic resonances and identification of secondary structure elements of the lambda-cro repressor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matsuo Hiroshi . . 2 Shirakawa Masahiro . . 3 Ohkubo Tadayasu . . 4 Yamazaki Toshio . . 5 Kyogoku Yoshimasa . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 191 _Page_last 204 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_cro_repressor _Saveframe_category molecular_system _Mol_system_name 'cro repressor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cro repressor' $cro_repressor stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cro_repressor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cro repressor' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; MEQRITLKDYAMRFGQTKTA KDLGVYQSAINKAIHAGRKI FLTINADGSVYAEEVKPFPS NKKTTA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLN 4 ARG 5 ILE 6 THR 7 LEU 8 LYS 9 ASP 10 TYR 11 ALA 12 MET 13 ARG 14 PHE 15 GLY 16 GLN 17 THR 18 LYS 19 THR 20 ALA 21 LYS 22 ASP 23 LEU 24 GLY 25 VAL 26 TYR 27 GLN 28 SER 29 ALA 30 ILE 31 ASN 32 LYS 33 ALA 34 ILE 35 HIS 36 ALA 37 GLY 38 ARG 39 LYS 40 ILE 41 PHE 42 LEU 43 THR 44 ILE 45 ASN 46 ALA 47 ASP 48 GLY 49 SER 50 VAL 51 TYR 52 ALA 53 GLU 54 GLU 55 VAL 56 LYS 57 PRO 58 PHE 59 PRO 60 SER 61 ASN 62 LYS 63 LYS 64 THR 65 THR 66 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 1744 "cro repressor" 100.00 66 100.00 100.00 5.35e-40 PDB 1COP "Three-Dimensional Dimer Structure Of The Lambda-Cro Repressor In Solution As Determined By Heteronuclear Multidimensional Nmr" 100.00 66 100.00 100.00 5.35e-40 PDB 1D1L "Crystal Structure Of Cro-F58w Mutant" 92.42 61 98.36 100.00 3.79e-36 PDB 4CRO "Protein-Dna Conformational Changes In The Crystal Structure Of A Lambda Cro-Operator Complex" 100.00 66 100.00 100.00 5.35e-40 PDB 5CRO "Refined Structure Of Cro Repressor Protein From Bacteriophage Lambda" 100.00 66 100.00 100.00 5.35e-40 PDB 6CRO "Crystal Structure Of Lambda-Cro Bound To A Consensus Operator At 3.0 Angstrom Resolution" 90.91 60 100.00 100.00 1.01e-35 DBJ BAB33698 "Cro repressor [Escherichia coli O157:H7 str. Sakai]" 100.00 66 100.00 100.00 5.35e-40 EMBL CAR07301 "Regulatory protein cro [Escherichia coli ED1a]" 100.00 66 96.97 100.00 5.14e-39 EMBL CAS10081 "predicted antirepressor protein [Escherichia coli O127:H6 str. E2348/69]" 100.00 66 100.00 100.00 5.35e-40 EMBL CCQ28786 "regulatory protein cro [Escherichia coli]" 100.00 66 96.97 100.00 5.14e-39 EMBL CDK52226 "Regulatory protein cro [Escherichia coli IS5]" 100.00 66 100.00 100.00 5.35e-40 EMBL CDN72897 "Regulatory protein cro [Elizabethkingia anophelis]" 100.00 66 100.00 100.00 5.35e-40 GB AAA72513 "cro peptide, partial [synthetic construct]" 68.18 45 100.00 100.00 2.49e-23 GB AAA96582 "cro (antirepressor; also tof;66) [Enterobacteria phage lambda]" 100.00 66 100.00 100.00 5.35e-40 GB AAF31129 "Cro protein [Enterobacteria phage HK97]" 100.00 66 98.48 98.48 3.02e-39 GB ABD60130 "Cro [Enterobacteria phage lambda]" 100.00 66 100.00 100.00 5.35e-40 GB ABD60133 "Cro [Enterobacteria phage lambda]" 100.00 66 100.00 100.00 5.35e-40 PRF 0312229A "protein,Cro regulatory" 100.00 66 100.00 100.00 5.35e-40 PRF 0611193A "protein P,replicatory" 100.00 667 100.00 100.00 2.69e-36 REF NP_037736 "Cro protein [Enterobacteria phage HK97]" 100.00 66 98.48 98.48 3.02e-39 REF NP_040629 "antirepressor [Enterobacteria phage lambda]" 100.00 66 100.00 100.00 5.35e-40 REF NP_308302 "Cro [Escherichia coli O157:H7 str. Sakai]" 100.00 66 100.00 100.00 5.35e-40 REF WP_000437871 "hypothetical protein [Escherichia coli]" 100.00 66 96.97 100.00 5.14e-39 REF WP_000437872 "hypothetical protein [Escherichia coli]" 100.00 66 98.48 100.00 1.02e-39 SP P03040 "RecName: Full=Regulatory protein cro" 100.00 66 100.00 100.00 5.35e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $cro_repressor 'lambda virus' 10710 Bacteria . Lambda phage generic stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $cro_repressor 'not available' . Escherichia coli TG1 . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H . . ppm 0 . . . . . $entry_citation $entry_citation . N . . ppm 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'cro repressor' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 GLN H H 8.49 . 1 2 . 3 GLN HA H 4.48 . 1 3 . 3 GLN HB2 H 2.01 . 2 4 . 3 GLN HB3 H 2.15 . 2 5 . 3 GLN HG2 H 2.34 . 1 6 . 3 GLN HG3 H 2.34 . 1 7 . 3 GLN NE2 N 109.8 . 1 8 . 3 GLN HE21 H 6.89 . 2 9 . 3 GLN HE22 H 7.53 . 2 10 . 3 GLN N N 119.6 . 1 11 . 4 ARG H H 8.26 . 1 12 . 4 ARG HA H 5 . 1 13 . 4 ARG HB2 H 1.61 . 2 14 . 4 ARG HB3 H 1.73 . 2 15 . 4 ARG HG2 H 1.46 . 1 16 . 4 ARG HG3 H 1.46 . 1 17 . 4 ARG N N 120.8 . 1 18 . 5 ILE H H 9.17 . 1 19 . 5 ILE HA H 4.8 . 1 20 . 5 ILE HB H 2.01 . 1 21 . 5 ILE HG12 H 1.38 . 2 22 . 5 ILE HG13 H 1.82 . 2 23 . 5 ILE HG2 H 1.26 . 1 24 . 5 ILE HD1 H 1.02 . 1 25 . 5 ILE N N 122.1 . 1 26 . 6 THR H H 9.2 . 1 27 . 6 THR HA H 4.3 . 1 28 . 6 THR HB H 4.53 . 1 29 . 6 THR HG2 H 1.37 . 1 30 . 6 THR N N 115.8 . 1 31 . 7 LEU H H 7.66 . 1 32 . 7 LEU HA H 4.57 . 1 33 . 7 LEU HB2 H 1.95 . 1 34 . 7 LEU HB3 H 1.95 . 1 35 . 7 LEU HG H 1.4 . 1 36 . 7 LEU HD1 H .61 . 2 37 . 7 LEU HD2 H .78 . 2 38 . 7 LEU N N 119.5 . 1 39 . 8 LYS H H 8.51 . 1 40 . 8 LYS HA H 3.8 . 1 41 . 8 LYS HB2 H 1.7 . 2 42 . 8 LYS HB3 H 1.83 . 2 43 . 8 LYS HG2 H 1.4 . 1 44 . 8 LYS HG3 H 1.4 . 1 45 . 8 LYS N N 114.6 . 1 46 . 9 ASP H H 7.95 . 1 47 . 9 ASP HA H 4.4 . 1 48 . 9 ASP HB2 H 2.6 . 2 49 . 9 ASP HB3 H 2.88 . 2 50 . 9 ASP N N 117.1 . 1 51 . 10 TYR H H 8.88 . 1 52 . 10 TYR HA H 3.92 . 1 53 . 10 TYR HB2 H 2.94 . 2 54 . 10 TYR HB3 H 3.18 . 2 55 . 10 TYR HD1 H 7.23 . 1 56 . 10 TYR HD2 H 7.23 . 1 57 . 10 TYR HE1 H 6.55 . 1 58 . 10 TYR HE2 H 6.55 . 1 59 . 10 TYR N N 124.4 . 1 60 . 11 ALA H H 8.87 . 1 61 . 11 ALA HA H 4.12 . 1 62 . 11 ALA HB H 1.35 . 1 63 . 11 ALA N N 117.7 . 1 64 . 12 MET H H 8.09 . 1 65 . 12 MET HA H 4.2 . 1 66 . 12 MET HB2 H 2.16 . 2 67 . 12 MET HB3 H 2.24 . 2 68 . 12 MET HG2 H 2.6 . 2 69 . 12 MET HG3 H 2.74 . 2 70 . 12 MET N N 117 . 1 71 . 13 ARG H H 7.65 . 1 72 . 13 ARG HA H 3.85 . 1 73 . 13 ARG HB2 H 1.03 . 2 74 . 13 ARG HB3 H 1.38 . 2 75 . 13 ARG HG2 H .74 . 1 76 . 13 ARG HG3 H .74 . 1 77 . 13 ARG N N 116.8 . 1 78 . 14 PHE H H 8.38 . 1 79 . 14 PHE HA H 4.63 . 1 80 . 14 PHE HB2 H 2.42 . 2 81 . 14 PHE HB3 H 2.98 . 2 82 . 14 PHE HD1 H 6.49 . 1 83 . 14 PHE HD2 H 6.49 . 1 84 . 14 PHE HE1 H 6.97 . 1 85 . 14 PHE HE2 H 6.97 . 1 86 . 14 PHE HZ H 7.13 . 1 87 . 14 PHE N N 111.7 . 1 88 . 15 GLY H H 7.91 . 1 89 . 15 GLY N N 107.8 . 1 90 . 16 GLN HG2 H 2.68 . 1 91 . 16 GLN HG3 H 2.68 . 1 92 . 16 GLN NE2 N 107.4 . 1 93 . 16 GLN HE21 H 6.99 . 2 94 . 16 GLN HE22 H 7.52 . 2 95 . 17 THR H H 8.45 . 1 96 . 17 THR HA H 3.94 . 1 97 . 17 THR HB H 4.16 . 1 98 . 17 THR HG2 H 1.3 . 1 99 . 17 THR N N 115.2 . 1 100 . 18 LYS H H 8.83 . 1 101 . 18 LYS HA H 4.04 . 1 102 . 18 LYS HB2 H 1.78 . 2 103 . 18 LYS HB3 H 1.9 . 2 104 . 18 LYS HG2 H 1.3 . 1 105 . 18 LYS HG3 H 1.3 . 1 106 . 18 LYS N N 121.8 . 1 107 . 19 THR H H 7.53 . 1 108 . 19 THR HA H 3.86 . 1 109 . 19 THR HB H 4.2 . 1 110 . 19 THR HG2 H 1.14 . 1 111 . 19 THR N N 111.8 . 1 112 . 20 ALA H H 8.03 . 1 113 . 20 ALA HA H 3.8 . 1 114 . 20 ALA HB H 1.56 . 1 115 . 20 ALA N N 119.7 . 1 116 . 21 LYS H H 7.78 . 1 117 . 21 LYS HA H 4.1 . 1 118 . 21 LYS HB2 H 2 . 1 119 . 21 LYS HB3 H 2 . 1 120 . 21 LYS N N 116.9 . 1 121 . 22 ASP H H 9.09 . 1 122 . 22 ASP HA H 4.3 . 1 123 . 22 ASP HB2 H 2.36 . 2 124 . 22 ASP HB3 H 2.83 . 2 125 . 22 ASP N N 118.9 . 1 126 . 23 LEU H H 7.58 . 1 127 . 23 LEU HA H 4.46 . 1 128 . 23 LEU HB2 H 1.7 . 1 129 . 23 LEU HB3 H 1.7 . 1 130 . 23 LEU HG H 1.74 . 1 131 . 23 LEU HD1 H .72 . 2 132 . 23 LEU HD2 H .74 . 2 133 . 23 LEU N N 113.6 . 1 134 . 24 GLY H H 7.99 . 1 135 . 24 GLY HA2 H 4.15 . 2 136 . 24 GLY HA3 H 3.94 . 2 137 . 24 GLY N N 107.8 . 1 138 . 25 VAL H H 7.88 . 1 139 . 25 VAL HA H 4.57 . 1 140 . 25 VAL HB H 2.15 . 1 141 . 25 VAL HG1 H .64 . 2 142 . 25 VAL HG2 H .73 . 2 143 . 25 VAL N N 109.8 . 1 144 . 26 TYR H H 7.94 . 1 145 . 26 TYR HA H 4.78 . 1 146 . 26 TYR HB2 H 2.92 . 2 147 . 26 TYR HB3 H 3.44 . 2 148 . 26 TYR HD1 H 7.29 . 1 149 . 26 TYR HD2 H 7.29 . 1 150 . 26 TYR HE1 H 6.9 . 1 151 . 26 TYR HE2 H 6.9 . 1 152 . 26 TYR N N 116.7 . 1 153 . 27 GLN HA H 3.8 . 1 154 . 27 GLN HB2 H 2.18 . 2 155 . 27 GLN HB3 H 2.22 . 2 156 . 27 GLN HG2 H 2.4 . 1 157 . 27 GLN HG3 H 2.4 . 1 158 . 27 GLN NE2 N 110.6 . 1 159 . 27 GLN HE21 H 6.96 . 2 160 . 27 GLN HE22 H 7.64 . 2 161 . 28 SER H H 8.6 . 1 162 . 28 SER HA H 4.24 . 1 163 . 28 SER HB2 H 3.81 . 2 164 . 28 SER HB3 H 3.98 . 2 165 . 28 SER N N 111.3 . 1 166 . 29 ALA H H 7.43 . 1 167 . 29 ALA HA H 4.3 . 1 168 . 29 ALA HB H 1.62 . 1 169 . 29 ALA N N 121.9 . 1 170 . 30 ILE H H 7.4 . 1 171 . 30 ILE HA H 3.75 . 1 172 . 30 ILE HB H 2.46 . 1 173 . 30 ILE HG12 H 1.37 . 2 174 . 30 ILE HG13 H 1.63 . 2 175 . 30 ILE HG2 H .9 . 1 176 . 30 ILE HD1 H .75 . 1 177 . 30 ILE N N 115.7 . 1 178 . 31 ASN H H 8.11 . 1 179 . 31 ASN HA H 4.3 . 1 180 . 31 ASN HB2 H 2.8 . 2 181 . 31 ASN HB3 H 3 . 2 182 . 31 ASN ND2 N 111.2 . 1 183 . 31 ASN HD21 H 7.01 . 2 184 . 31 ASN HD22 H 7.68 . 2 185 . 31 ASN N N 116 . 1 186 . 32 LYS H H 8.13 . 1 187 . 32 LYS HA H 4.07 . 1 188 . 32 LYS HB2 H 1.93 . 1 189 . 32 LYS HB3 H 1.93 . 1 190 . 32 LYS N N 115.8 . 1 191 . 33 ALA H H 7.61 . 1 192 . 33 ALA HA H 4.13 . 1 193 . 33 ALA HB H 1.26 . 1 194 . 33 ALA N N 119.6 . 1 195 . 34 ILE H H 7.98 . 1 196 . 34 ILE HA H 3.75 . 1 197 . 34 ILE HB H 1.8 . 1 198 . 34 ILE HG12 H 1.1 . 2 199 . 34 ILE HG13 H 1.38 . 2 200 . 34 ILE HG2 H .78 . 1 201 . 34 ILE HD1 H .51 . 1 202 . 34 ILE N N 116.5 . 1 203 . 35 HIS H H 8.35 . 1 204 . 35 HIS HA H 4.31 . 1 205 . 35 HIS HB2 H 3.17 . 1 206 . 35 HIS HB3 H 3.17 . 1 207 . 35 HIS HD2 H 7.03 . 1 208 . 35 HIS HE1 H 7.75 . 1 209 . 35 HIS N N 118.7 . 1 210 . 36 ALA H H 7.98 . 1 211 . 36 ALA HA H 4.33 . 1 212 . 36 ALA HB H 1.52 . 1 213 . 36 ALA N N 116.5 . 1 214 . 37 GLY H H 7.81 . 1 215 . 37 GLY HA2 H 3.98 . 2 216 . 37 GLY HA3 H 3.9 . 2 217 . 37 GLY N N 104.7 . 1 218 . 38 ARG H H 7.18 . 1 219 . 38 ARG HA H 4.09 . 1 220 . 38 ARG HB2 H 1.75 . 1 221 . 38 ARG HB3 H 1.75 . 1 222 . 38 ARG N N 115.9 . 1 223 . 39 LYS H H 9.16 . 1 224 . 39 LYS HA H 4.29 . 1 225 . 39 LYS HB2 H 2.3 . 1 226 . 39 LYS HB3 H 2.3 . 1 227 . 39 LYS N N 124.4 . 1 228 . 40 ILE H H 6.99 . 1 229 . 40 ILE HA H 4.9 . 1 230 . 40 ILE HB H 1.02 . 1 231 . 40 ILE HG12 H .94 . 2 232 . 40 ILE HG13 H .3 . 2 233 . 40 ILE HG2 H .3 . 1 234 . 40 ILE HD1 H -.25 . 1 235 . 40 ILE N N 122 . 1 236 . 41 PHE H H 9.23 . 1 237 . 41 PHE HA H 5 . 1 238 . 41 PHE HB2 H 2.66 . 2 239 . 41 PHE HB3 H 2.77 . 2 240 . 41 PHE HD1 H 6.92 . 1 241 . 41 PHE HD2 H 6.92 . 1 242 . 41 PHE HE1 H 7.23 . 1 243 . 41 PHE HE2 H 7.23 . 1 244 . 41 PHE HZ H 7.27 . 1 245 . 41 PHE N N 124.4 . 1 246 . 42 LEU H H 9.96 . 1 247 . 42 LEU HA H 5.12 . 1 248 . 42 LEU HB2 H 1.31 . 1 249 . 42 LEU HB3 H 1.31 . 1 250 . 42 LEU HG H 1.33 . 1 251 . 42 LEU HD1 H 0 . 2 252 . 42 LEU HD2 H .53 . 2 253 . 42 LEU N N 125.3 . 1 254 . 43 THR H H 8.73 . 1 255 . 43 THR HA H 4.67 . 1 256 . 43 THR HB H 3.21 . 1 257 . 43 THR HG2 H 1.03 . 1 258 . 43 THR N N 116.1 . 1 259 . 44 ILE H H 8.58 . 1 260 . 44 ILE HA H 4.46 . 1 261 . 44 ILE HB H 1.82 . 1 262 . 44 ILE HG12 H 1.15 . 2 263 . 44 ILE HG13 H 1.61 . 2 264 . 44 ILE HG2 H .97 . 1 265 . 44 ILE HD1 H .98 . 1 266 . 44 ILE N N 123.7 . 1 267 . 45 ASN H H 9.02 . 1 268 . 45 ASN HA H 4.86 . 1 269 . 45 ASN HB2 H 2.91 . 2 270 . 45 ASN HB3 H 2.99 . 2 271 . 45 ASN ND2 N 110.4 . 1 272 . 45 ASN HD21 H 6.33 . 2 273 . 45 ASN HD22 H 7.56 . 2 274 . 45 ASN N N 124 . 1 275 . 46 ALA HA H 4.14 . 1 276 . 46 ALA HB H 1.48 . 1 277 . 47 ASP H H 7.88 . 1 278 . 47 ASP HA H 4.51 . 1 279 . 47 ASP HB2 H 2.65 . 2 280 . 47 ASP HB3 H 3.1 . 2 281 . 47 ASP N N 111.9 . 1 282 . 48 GLY H H 8.16 . 1 283 . 48 GLY N N 107 . 1 284 . 49 SER H H 8.26 . 1 285 . 49 SER HA H 4.34 . 1 286 . 49 SER HB2 H 3.97 . 2 287 . 49 SER HB3 H 4.02 . 2 288 . 49 SER N N 115.6 . 1 289 . 50 VAL H H 8.3 . 1 290 . 50 VAL HA H 5.21 . 1 291 . 50 VAL HB H 1.69 . 1 292 . 50 VAL HG1 H .66 . 2 293 . 50 VAL HG2 H .78 . 2 294 . 50 VAL N N 115.7 . 1 295 . 51 TYR H H 8.42 . 1 296 . 51 TYR HA H 4.86 . 1 297 . 51 TYR HB2 H 2.98 . 2 298 . 51 TYR HB3 H 3.1 . 2 299 . 51 TYR HD1 H 7.01 . 3 300 . 51 TYR HD2 H 7.03 . 3 301 . 51 TYR HE1 H 6.78 . 3 302 . 51 TYR HE2 H 6.79 . 3 303 . 51 TYR N N 121.2 . 1 304 . 52 ALA H H 8.88 . 1 305 . 52 ALA HA H 5.63 . 1 306 . 52 ALA HB H 1.55 . 1 307 . 52 ALA N N 122.4 . 1 308 . 53 GLU H H 8.9 . 1 309 . 53 GLU HA H 5 . 1 310 . 53 GLU HB2 H 1.86 . 2 311 . 53 GLU HB3 H 1.98 . 2 312 . 53 GLU HG2 H 2.2 . 1 313 . 53 GLU HG3 H 2.2 . 1 314 . 53 GLU N N 116.8 . 1 315 . 54 GLU H H 9.82 . 1 316 . 54 GLU HA H 5.32 . 1 317 . 54 GLU HB2 H 1.97 . 1 318 . 54 GLU HB3 H 1.97 . 1 319 . 54 GLU N N 122.1 . 1 320 . 55 VAL H H 8.39 . 1 321 . 55 VAL HA H 5.12 . 1 322 . 55 VAL HB H 2.05 . 1 323 . 55 VAL HG1 H .9 . 2 324 . 55 VAL HG2 H 1.02 . 2 325 . 55 VAL N N 122.9 . 1 326 . 56 LYS H H 9.29 . 1 327 . 56 LYS HA H 5.13 . 1 328 . 56 LYS HB2 H 1.82 . 1 329 . 56 LYS HB3 H 1.82 . 1 330 . 56 LYS N N 125.1 . 1 331 . 57 PRO HA H 4.72 . 1 332 . 57 PRO HB2 H 2.52 . 2 333 . 57 PRO HB3 H 2.57 . 2 334 . 57 PRO HG2 H 2.17 . 1 335 . 57 PRO HG3 H 2.17 . 1 336 . 57 PRO HD2 H 3.76 . 2 337 . 57 PRO HD3 H 3.97 . 2 338 . 58 PHE H H 7.66 . 1 339 . 58 PHE HA H 4.72 . 1 340 . 58 PHE HB2 H 2.53 . 2 341 . 58 PHE HB3 H 2.74 . 2 342 . 58 PHE HD1 H 7.07 . 3 343 . 58 PHE HD2 H 7.1 . 3 344 . 58 PHE HE1 H 6.9 . 1 345 . 58 PHE HE2 H 6.9 . 1 346 . 58 PHE HZ H 7.12 . 1 347 . 58 PHE N N 119.1 . 1 348 . 61 ASN ND2 N 110.8 . 1 349 . 61 ASN HD21 H 6.9 . 2 350 . 61 ASN HD22 H 7.58 . 2 351 . 62 LYS H H 8.2 . 1 352 . 62 LYS N N 119.7 . 1 353 . 64 THR H H 8.06 . 1 354 . 64 THR HA H 4.37 . 1 355 . 64 THR HB H 4.28 . 1 356 . 64 THR HG2 H 1.2 . 1 357 . 64 THR N N 114 . 1 358 . 65 THR H H 8.22 . 1 359 . 65 THR HA H 4.43 . 1 360 . 65 THR HB H 4.29 . 1 361 . 65 THR HG2 H 1.21 . 1 362 . 65 THR N N 113.5 . 1 363 . 66 ALA H H 8 . 1 364 . 66 ALA HA H 4.12 . 1 365 . 66 ALA HB H 1.33 . 1 366 . 66 ALA N N 129.8 . 1 stop_ save_